Chem
J-GLOBAL ID：200907079196686431
Nikkaji number：J2.691.261J
Octakis[2-(benzoylthio)acetic acid]2,8,14,20-tetrakis[4-[(benzoylthio)acetoxy]phenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octayl ester
オクタキス[2-(ベンゾイルチオ)酢酸]2,8,14,20-テトラキス[4-[(ベンゾイルチオ)アセトキシ]フェニル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-4,6,10,12,16,18,22,24-オクタイル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C160H112O36S12
Molecular formula furigana： C160-H112-O36-S12
Molecular weight： 2995.340
InChI：
InChI=1S/C160H112O36S12/c161-133(85-197-149(173)101-37-13-1-14-38-101)185-113-69-61-97(62-70-113)145-117-77-119(127(191-139(167)91-203-155(179)107-49-25-7-26-50-107)81-125(117)189-137(165)89-201-153(177)105-45-21-5-22-46-105)146(98-63-71-114(72-64-98)186-134(162)86-198-150(174)102-39-15-2-16-40-102)121-79-123(131(195-143(171)95-207-159(183)111-57-33-11-34-58-111)83-129(121)193-141(169)93-205-157(181)109-53-29-9-30-54-109)148(100-67-75-116(76-68-100)188-136(164)88-200-152(176)104-43-19-4-20-44-104)124-80-122(130(194-142(170)94-206-158(182)110-55-31-10-32-56-110)84-132(124)196-144(172)96-208-160(184)112-59-35-12-36-60-112)147(99-65-73-115(74-66-99)187-135(163)87-199-151(175)103-41-17-3-18-42-103)120-78-118(145)126(190-138(166)90-202-154(178)106-47-23-6-24-48-106)82-128(120)192-140(168)92-204-156(180)108-51-27-8-28-52-108/h1-84,145-148H,85-96H2
InChI key：
YGESYXXVACBEAJ-UHFFFAOYSA-N
SMILES：
O=C(CSC(=O)c1ccccc1)Oc1ccc(cc1)C1c2cc(C(c3ccc(OC(=O)CSC(=O)c4ccccc4)cc3)c3cc(C(c4ccc(OC(=O)CSC(=O)c5ccccc5)cc4)c4cc(C(c5ccc(OC(=O)CSC(=O)c6ccccc6)cc5)c5cc1c(OC(=O)CSC(=O)c1ccccc1)cc5OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc4OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc3OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc2OC(=O)CSC(=O)c1ccccc1
Systematic name (3)：
- オクタキス[2-(ベンゾイルチオ)酢酸]2,8,14,20-テトラキス[4-[(ベンゾイルチオ)アセトキシ]フェニル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-4,6,10,12,16,18,22,24-オクタイル
- 4-[4,6,10,12,16,18,22,24-オクタキス({[2-(ベンゾイルスルファニル)アセチル]オキシ})-8,14,20-トリス(4-{[2-(ベンゾイルスルファニル)アセチル]オキシ}フェニル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-2-イル]フェニル 2-(ベンゾイルスルファニル)アセタート
- 4-[4,6,10,12,16,18,22,24-octakis({[2-(benzoylsulfanyl)acetyl]oxy})-8,14,20-tris(4-{[2-(benzoylsulfanyl)acetyl]oxy}phenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-2-yl]phenyl 2-(benzoylsulfanyl)acetate
- Octakis[2-(benzoylthio)acetic acid]2,8,14,20-tetrakis[4-[(benzoylthio)acetoxy]phenyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octayl ester
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